1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide

C13H21N3O4S — CID 114612483

IUPAC1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCCn1cc(S(N)(=O)=O)cc1C(=O)NCC1CC1C
InChIInChI=1S/C13H21N3O4S/c1-9-5-10(9)7-15-13(17)12-6-11(21(14,18)19)8-16(12)3-4-20-2/h6,8-10H,3-5,7H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyKCAYFXPXTQSDAT-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.17
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide

1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612483) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612483
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCCn1cc(S(N)(=O)=O)cc1C(=O)NCC1CC1C
InChIInChI=1S/C13H21N3O4S/c1-9-5-10(9)7-15-13(17)12-6-11(21(14,18)19)8-16(12)3-4-20-2/h6,8-10H,3-5,7H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyKCAYFXPXTQSDAT-UHFFFAOYSA-N
XLogP0.17
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611998
N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612444
1-(2-methoxyethyl)-N-pentyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611929
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786
1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611880
1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611356
3-methylbutyl 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylate
CID 114612712
N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612598
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 104625478
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
1-(2-methoxyethyl)-5-[(1-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611570

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide (CID 114612483) is 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide is COCCn1cc(S(N)(=O)=O)cc1C(=O)NCC1CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is KCAYFXPXTQSDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-5-10(9)7-15-13(17)12-6-11(21(14,18)19)8-16(12)3-4-20-2/h6,8-10H,3-5,7H2,1-2H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide?
1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).